WIVTZNMVNXBLMV-YIIWZEITSA-N

Name: WIVTZNMVNXBLMV-YIIWZEITSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₅H₂₅F₉N₂O₄ — CID 118168620

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[5-[2-[(3R,3aS,6R)-3-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-6-yl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid

SMILESCOc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@H]1CC[C@H]2C1=NO[C@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChIInChI=1S/C35H25F9N2O4/c1-16-9-17(32(47)48)3-5-23(16)19-12-28(31(49-2)45-15-19)24-6-4-20(33(36,37)38)14-27(24)25-7-8-26-29(25)46-50-30(26)18-10-21(34(39,40)41)13-22(11-18)35(42,43)44/h3-6,9-15,25-26,30H,7-8H2,1-2H3,(H,47,48)/t25-,26+,30+/m1/s1

InChIKeyWIVTZNMVNXBLMV-YIIWZEITSA-N

MW708.58 g/mol

LogP10.11

Rot. Bonds6

About WIVTZNMVNXBLMV-YIIWZEITSA-N

WIVTZNMVNXBLMV-YIIWZEITSA-N (PubChem CID 118168620) has the molecular formula C₃₅H₂₅F₉N₂O₄ and a molecular weight of 708.58 g/mol. Its IUPAC name is 4-[5-[2-[(3R,3aS,6R)-3-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-6-yl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid.

Molecular Properties

Compound Name	WIVTZNMVNXBLMV-YIIWZEITSA-N
PubChem CID	118168620
Molecular Formula	C₃₅H₂₅F₉N₂O₄
Molecular Weight	708.58 g/mol
Exact Mass	708.17
IUPAC Name	4-[5-[2-[(3R,3aS,6R)-3-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-6-yl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid
SMILES	COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@H]1CC[C@H]2C1=NO[C@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI	InChI=1S/C35H25F9N2O4/c1-16-9-17(32(47)48)3-5-23(16)19-12-28(31(49-2)45-15-19)24-6-4-20(33(36,37)38)14-27(24)25-7-8-26-29(25)46-50-30(26)18-10-21(34(39,40)41)13-22(11-18)35(42,43)44/h3-6,9-15,25-26,30H,7-8H2,1-2H3,(H,47,48)/t25-,26+,30+/m1/s1
InChIKey	WIVTZNMVNXBLMV-YIIWZEITSA-N
XLogP	10.11
TPSA	81.01 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	50
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.58
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of WIVTZNMVNXBLMV-YIIWZEITSA-N?

The IUPAC name of WIVTZNMVNXBLMV-YIIWZEITSA-N (CID 118168620) is 4-[5-[2-[(3R,3aS,6R)-3-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-6-yl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid.

What is the SMILES notation for WIVTZNMVNXBLMV-YIIWZEITSA-N?

The canonical SMILES for WIVTZNMVNXBLMV-YIIWZEITSA-N is COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@H]1CC[C@H]2C1=NO[C@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of WIVTZNMVNXBLMV-YIIWZEITSA-N?

The InChIKey is WIVTZNMVNXBLMV-YIIWZEITSA-N. The full InChI is InChI=1S/C35H25F9N2O4/c1-16-9-17(32(47)48)3-5-23(16)19-12-28(31(49-2)45-15-19)24-6-4-20(33(36,37)38)14-27(24)25-7-8-26-29(25)46-50-30(26)18-10-21(34(39,40)41)13-22(11-18)35(42,43)44/h3-6,9-15,25-26,30H,7-8H2,1-2H3,(H,47,48)/t25-,26+,30+/m1/s1.

What are the key properties of WIVTZNMVNXBLMV-YIIWZEITSA-N?

WIVTZNMVNXBLMV-YIIWZEITSA-N has a molecular weight of 708.58 g/mol, XLogP of 10.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for WIVTZNMVNXBLMV-YIIWZEITSA-N is sourced from PubChem (CID 118168620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118168620 — identifiers, structure, computed properties (public domain)

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